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15 molecules are shown

Wt: 349.8
BDBM15245
Wt: 389.7
BDBM15251
Wt: 460.9
BDBM15258
Wt: 431.8
BDBM15262
Wt: 281.7
BDBM50359813
Wt: 360.4
BDBM50359814
Wt: 247.2
BDBM50359815
Wt: 350.3
BDBM50359816
Wt: 382.8
BDBM50359806
Wt: 382.8
BDBM50359807
Purchase
Wt: 348.4
BDBM50359808
Wt: 368.8
BDBM50359809
Wt: 380.8
BDBM50359810
Wt: 346.3
BDBM50359811
Wt: 394.8
BDBM50359812

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 15245,15251,15258,15262,50359813,50359814,50359815,50359816,50359806,50359807,50359808,50359809,50359810,50359811,50359812   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM15245
PNG
(1-(3-Chlorophenyl)-3-[6-[1-(dimethylamino)propan-2...)
Show SMILES CC(CN(C)C)Oc1cncc(NC(=O)Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C16H20ClN5O2/c1-11(10-22(2)3)24-15-9-18-8-14(20-15)21-16(23)19-13-6-4-5-12(17)7-13/h4-9,11H,10H2,1-3H3,(H2,19,20,21,23)
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n/an/a 26n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


J Med Chem 50: 1514-27 (2007)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2P55KQW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50359807
PNG
(CHEMBL1928705)
Show SMILES C[C@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG overexpressed in HEK cells


J Med Chem 55: 10229-40 (2012)


Article DOI: 10.1021/jm3012933
BindingDB Entry DOI: 10.7270/Q2N87BZM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM15258
PNG
(7-chloro-8-[2-(dimethylamino)ethoxy]-3-oxo-11,17-d...)
Show SMILES CN(C)CCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C21H25ClN6O4/c1-28(2)6-9-31-17-11-18-15(10-14(17)22)25-21(29)27-19-13-24-16(12-23)20(26-19)32-8-5-3-4-7-30-18/h10-11,13H,3-9H2,1-2H3,(H2,25,26,27,29)
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n/an/a 1n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


J Med Chem 50: 1514-27 (2007)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2P55KQW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM15262
PNG
(7-chloro-3-oxo-8-(propan-2-yloxy)-11,17-dioxa-2,4,...)
Show SMILES CC(C)Oc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C20H22ClN5O4/c1-12(2)30-16-9-17-14(8-13(16)21)24-20(27)26-18-11-23-15(10-22)19(25-18)29-7-5-3-4-6-28-17/h8-9,11-12H,3-7H2,1-2H3,(H2,24,25,26,27)
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n/an/a 13n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


J Med Chem 50: 1514-27 (2007)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2P55KQW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359806
PNG
(CHEMBL1928706)
Show SMILES C[C@@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m0/s1
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n/an/a 560n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359807
PNG
(CHEMBL1928705)
Show SMILES C[C@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359806
PNG
(CHEMBL1928706)
Show SMILES C[C@@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359808
PNG
(CHEMBL1928703)
Show SMILES CC(CN(C)C)Oc1nc(Nc2cc3ccccc3cn2)cnc1C#N
Show InChI InChI=1S/C19H20N6O/c1-13(12-25(2)3)26-19-16(9-20)21-11-18(24-19)23-17-8-14-6-4-5-7-15(14)10-22-17/h4-8,10-11,13H,12H2,1-3H3,(H,22,23,24)
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n/an/a 51n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359809
PNG
(CHEMBL1928702)
Show SMILES CN(C)CCOc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C18H17ClN6O/c1-25(2)6-7-26-18-15(9-20)21-11-17(24-18)23-16-8-12-4-3-5-14(19)13(12)10-22-16/h3-5,8,10-11H,6-7H2,1-2H3,(H,22,23,24)
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n/an/a 23n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359810
PNG
(CHEMBL1928701)
Show SMILES Clc1cccc2cc(Nc3cnc(C#N)c(OC4CCCNC4)n3)ncc12
Show InChI InChI=1S/C19H17ClN6O/c20-15-5-1-3-12-7-17(24-10-14(12)15)25-18-11-23-16(8-21)19(26-18)27-13-4-2-6-22-9-13/h1,3,5,7,10-11,13,22H,2,4,6,9H2,(H,24,25,26)
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n/an/a 3.80n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359811
PNG
(CHEMBL1928700)
Show SMILES N#Cc1ncc(Nc2cc3ccccc3cn2)nc1OC1CCCNC1
Show InChI InChI=1S/C19H18N6O/c20-9-16-19(26-15-6-3-7-21-11-15)25-18(12-22-16)24-17-8-13-4-1-2-5-14(13)10-23-17/h1-2,4-5,8,10,12,15,21H,3,6-7,11H2,(H,23,24,25)
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n/an/a 7n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359812
PNG
(CHEMBL1928699)
Show SMILES Clc1cccc2cc(Nc3cnc(C#N)c(OCC4CCNCC4)n3)ncc12
Show InChI InChI=1S/C20H19ClN6O/c21-16-3-1-2-14-8-18(25-10-15(14)16)26-19-11-24-17(9-22)20(27-19)28-12-13-4-6-23-7-5-13/h1-3,8,10-11,13,23H,4-7,12H2,(H,25,26,27)
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n/an/a 22n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359813
PNG
(CHEMBL1928698)
Show SMILES Clc1cccc2cc(Nc3cnc(cn3)C#N)ncc12
Show InChI InChI=1S/C14H8ClN5/c15-12-3-1-2-9-4-13(19-7-11(9)12)20-14-8-17-10(5-16)6-18-14/h1-4,6-8H,(H,18,19,20)
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n/an/a 740n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359814
PNG
(CHEMBL1928697)
Show SMILES N#Cc1ncc(Nc2cc3ccccc3cn2)nc1OCC1CCNCC1
Show InChI InChI=1S/C20H20N6O/c21-10-17-20(27-13-14-5-7-22-8-6-14)26-19(12-23-17)25-18-9-15-3-1-2-4-16(15)11-24-18/h1-4,9,11-12,14,22H,5-8,13H2,(H,24,25,26)
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n/an/a 17n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359815
PNG
(CHEMBL1928696)
Show SMILES N#Cc1cnc(Nc2cc3ccccc3cn2)cn1
Show InChI InChI=1S/C14H9N5/c15-6-12-8-18-14(9-16-12)19-13-5-10-3-1-2-4-11(10)7-17-13/h1-5,7-9H,(H,17,18,19)
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n/an/a 940n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359816
PNG
(CHEMBL1928695)
Show SMILES N#Cc1ncc(Nc2cc3nc[nH]c3cn2)nc1OCC1CCNCC1
Show InChI InChI=1S/C17H18N8O/c18-6-13-17(26-9-11-1-3-19-4-2-11)25-16(8-20-13)24-15-5-12-14(7-21-15)23-10-22-12/h5,7-8,10-11,19H,1-4,9H2,(H,22,23)(H,21,24,25)
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n/an/a 49n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50359807
PNG
(CHEMBL1928705)
Show SMILES C[C@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m1/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1


J Med Chem 55: 10229-40 (2012)


Article DOI: 10.1021/jm3012933
BindingDB Entry DOI: 10.7270/Q2N87BZM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359807
PNG
(CHEMBL1928705)
Show SMILES C[C@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT-29 cells assessed as etoposide-induced G2 check point arrest after 21 hrs by ELISA


J Med Chem 55: 10229-40 (2012)


Article DOI: 10.1021/jm3012933
BindingDB Entry DOI: 10.7270/Q2N87BZM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359807
PNG
(CHEMBL1928705)
Show SMILES C[C@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP


J Med Chem 55: 10229-40 (2012)


Article DOI: 10.1021/jm3012933
BindingDB Entry DOI: 10.7270/Q2N87BZM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50359807
PNG
(CHEMBL1928705)
Show SMILES C[C@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50359806
PNG
(CHEMBL1928706)
Show SMILES C[C@@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m0/s1
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n/an/a 8.40E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50359808
PNG
(CHEMBL1928703)
Show SMILES CC(CN(C)C)Oc1nc(Nc2cc3ccccc3cn2)cnc1C#N
Show InChI InChI=1S/C19H20N6O/c1-13(12-25(2)3)26-19-16(9-20)21-11-18(24-19)23-17-8-14-6-4-5-7-15(14)10-22-17/h4-8,10-11,13H,12H2,1-3H3,(H,22,23,24)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50359809
PNG
(CHEMBL1928702)
Show SMILES CN(C)CCOc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C18H17ClN6O/c1-25(2)6-7-26-18-15(9-20)21-11-17(24-18)23-16-8-12-4-3-5-14(19)13(12)10-22-16/h3-5,8,10-11H,6-7H2,1-2H3,(H,22,23,24)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50359810
PNG
(CHEMBL1928701)
Show SMILES Clc1cccc2cc(Nc3cnc(C#N)c(OC4CCCNC4)n3)ncc12
Show InChI InChI=1S/C19H17ClN6O/c20-15-5-1-3-12-7-17(24-10-14(12)15)25-18-11-23-16(8-21)19(26-18)27-13-4-2-6-22-9-13/h1,3,5,7,10-11,13,22H,2,4,6,9H2,(H,24,25,26)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50359812
PNG
(CHEMBL1928699)
Show SMILES Clc1cccc2cc(Nc3cnc(C#N)c(OCC4CCNCC4)n3)ncc12
Show InChI InChI=1S/C20H19ClN6O/c21-16-3-1-2-14-8-18(25-10-15(14)16)26-19-11-24-17(9-22)20(27-19)28-12-13-4-6-23-7-5-13/h1-3,8,10-11,13,23H,4-7,12H2,(H,25,26,27)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50359813
PNG
(CHEMBL1928698)
Show SMILES Clc1cccc2cc(Nc3cnc(cn3)C#N)ncc12
Show InChI InChI=1S/C14H8ClN5/c15-12-3-1-2-9-4-13(19-7-11(9)12)20-14-8-17-10(5-16)6-18-14/h1-4,6-8H,(H,18,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50359814
PNG
(CHEMBL1928697)
Show SMILES N#Cc1ncc(Nc2cc3ccccc3cn2)nc1OCC1CCNCC1
Show InChI InChI=1S/C20H20N6O/c21-10-17-20(27-13-14-5-7-22-8-6-14)26-19(12-23-17)25-18-9-15-3-1-2-4-16(15)11-24-18/h1-4,9,11-12,14,22H,5-8,13H2,(H,24,25,26)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50359815
PNG
(CHEMBL1928696)
Show SMILES N#Cc1cnc(Nc2cc3ccccc3cn2)cn1
Show InChI InChI=1S/C14H9N5/c15-6-12-8-18-14(9-16-12)19-13-5-10-3-1-2-4-11(10)7-17-13/h1-5,7-9H,(H,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50359816
PNG
(CHEMBL1928695)
Show SMILES N#Cc1ncc(Nc2cc3nc[nH]c3cn2)nc1OCC1CCNCC1
Show InChI InChI=1S/C17H18N8O/c18-6-13-17(26-9-11-1-3-19-4-2-11)25-16(8-20-13)24-15-5-12-14(7-21-15)23-10-22-12/h5,7-8,10-11,19H,1-4,9H2,(H,22,23)(H,21,24,25)
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n/an/a 4.40E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM15251
PNG
(7-chloro-8-hydroxy-3-oxo-11,17-dioxa-2,4,20,22-tet...)
Show SMILES Oc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C17H16ClN5O4/c18-10-6-11-14(7-13(10)24)26-4-2-1-3-5-27-16-12(8-19)20-9-15(22-16)23-17(25)21-11/h6-7,9,24H,1-5H2,(H2,21,22,23,25)
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n/an/a 6n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


J Med Chem 50: 1514-27 (2007)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2P55KQW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)